(2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol bromide

Systemtic Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol bromide Openeye Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol bromide CAS Name: (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3,3-dimethyl-1-butanol bromide IUPAC Name: (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3,3-dimethylbutan-1-ol bromide Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol bromide Formula: C15H30BrN3O MolecularWeight: 348.3222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1CNC(CO)C(C)(C)C)C.[Br-]

Isomeric SMILES

CCCCN1C=C[N+](=C1CN[C@H](CO)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C15H30N3O.BrH/c1-6-7-8-18-10-9-17(5)14(18)11-16-13(12-19)15(2,3)4;/h9-10,13,16,19H,6-8,11-12H2,1-5H3;1H/q+1;/p-1/t13-;/m1./s1